Home Halogens 7-chloro-3-(cyclopropylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine

7-chloro-3-(cyclopropylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine

CAS No.:
2137831-49-1
Catalog Number:
AG01ELC7
Molecular Formula:
C8H8ClN5
Molecular Weight:
209.6356
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Product Description
Catalog Number:
AG01ELC7
Chemical Name:
7-chloro-3-(cyclopropylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
CAS Number:
2137831-49-1
Molecular Formula:
C8H8ClN5
Molecular Weight:
209.6356
MDL Number:
MFCD31559479
IUPAC Name:
7-chloro-3-(cyclopropylmethyl)triazolo[4,5-d]pyrimidine
InChI:
InChI=1S/C8H8ClN5/c9-7-6-8(11-4-10-7)14(13-12-6)3-5-1-2-5/h4-5H,1-3H2
InChI Key:
WCDUKLWFUWUDIE-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1nnn2CC1CC1
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.047g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.637g/mol
Monoisotopic Mass:
209.047g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties